ChemSpider 2D Image | Ethyl 4-[(Z)-{3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate | C30H29N3O7S

Ethyl 4-[(Z)-{3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate

  • Molecular FormulaC30H29N3O7S
  • Average mass575.632 Da
  • Monoisotopic mass575.172607 Da
  • ChemSpider ID3191247

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(Z)-{3-(1,3-Benzodioxol-5-ylméthyl)-6-[(4-éthoxyphényl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidène}amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[[(4-ethoxyphenyl)amino]carbonyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(Z)-{3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(Z)-{3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-yliden}amino]benzoat [German] [ACD/IUPAC Name]
(Z)-ethyl 4-((3-(benzo[d][1,3]dioxol-5-ylmethyl)-6-((4-ethoxyphenyl)carbamoyl)-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate
4-[3-Benzo[1,3]dioxol-5-ylmethyl-6-(4-ethoxy-phenylcarbamoyl)-4-oxo-[1,3]thiazinan-2-ylideneamino]-benzoic acid ethyl ester
ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
ethyl 4-({3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-6-[N-(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazaperhydroin-2-ylidene}azamethyl)benzoate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A2976/0125452 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.647
    Molar Refractivity: 153.7±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 4.91
    ACD/LogD (pH 5.5): 4.10
    ACD/BCF (pH 5.5): 763.16
    ACD/KOC (pH 5.5): 4026.92
    ACD/LogD (pH 7.4): 4.10
    ACD/BCF (pH 7.4): 763.19
    ACD/KOC (pH 7.4): 4027.07
    Polar Surface Area: 141 Å2
    Polarizability: 60.9±0.5 10-24cm3
    Surface Tension: 52.9±7.0 dyne/cm
    Molar Volume: 422.9±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement